Nandan Kumar

3 Questions 8 Answers 0 Followers

Questions related from Nandan Kumar

Missing pulling information while performing Steered Molecular Dynamics ?

Dear all, This is regarding the Steered Molecular Dynamics. After finishing SMD, extracted useful frames from the SMD trajectory and performed the brief NPT equilibration of the selected useful...

03 December 2019 4,982 2 View

How can one continue the MD simulation in Gromacs if simulation has terminated, but not completed?

I am running the MD simulations for 30 ns which is 15000000 nsteps using dt= 0.02 using GROMACS software but it has terminated (after 13000000 steps) before completion due to queue limits. I would...

30 June 2017 8,657 33 View

Can anyone suggest me what type of atoms of phospholipid headgroup have to select for lipid headgroups density analysis?

As we know that density analysis is one of the worthwhile analysis to validate the our bilayer membrane model. I am using the gmx density of gromacs software to calculate the lipids headgroup...

18 June 2017 9,910 1 View